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Density functional extension to excited-state mean-field theory

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Aufbau suppressed coupled cluster as a post-linear-response method

physics.chem-ph · 2025-06-20 · conditional · novelty 6.0

ASCC and its partially linearized variant PLASCC produce nearly starting-point-independent excitation energies, converting charge transfer errors of multiple eV from CIS and TD-DFT into errors around 0.1 eV.

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  • Aufbau suppressed coupled cluster as a post-linear-response method physics.chem-ph · 2025-06-20 · conditional · none · ref 134

    ASCC and its partially linearized variant PLASCC produce nearly starting-point-independent excitation energies, converting charge transfer errors of multiple eV from CIS and TD-DFT into errors around 0.1 eV.